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2-Nitroaniline-[3,4,5,6-d4]

General Information
Catalog: BLP-010426
CAS: 204244-80-4
Molecular Formula: C6H2D4N2O2
Molecular Weight: 142.15
Chemical Structure
2-Nitroaniline-[3,4,5,6-d4]
Description 2-Nitroaniline-[3,4,5,6-d4] is the labelled analogue of 2-Nitroaniline, which is an impurity of Albendazole.
Synonyms 2-Nitroaniline-3,4,5,6-D4; Benzen-2,3,4,5-D4-Amine, 6-Nitro-; o-Nitroaniline-d4; 1-Amino-2-nitrobenzene-d4; 1-Nitro-2-aminobenzene-d4; 2-Aminonitrobenzene-d4; o-Aminonitrobenzene-d4; o-Nitrobenzenamine-d4; o-Nitrophenylamine-d4; Albendazole Impurity 4-d4
IUPAC Name 2,3,4,5-tetradeuterio-6-nitroaniline
Related CAS 88-74-4 (unlabelled)
Canonical SMILES C1=CC=C(C(=C1)N)[N+](=O)[O-]
InChI InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2/i1D,2D,3D,4D
InChI Key DPJCXCZTLWNFOH-RHQRLBAQSA-N
Purity 98%; 98% atom D
Solubility Sparingly soluble in Chloroform; Slightly soluble in Methanol
Appearance Dark Orange Solid
Storage Store at 2-8°C under inert atmosphere

Stable Isotope Labeling: Positioned at the forefront of analytical chemistry, the deuterated derivative 2-Nitroaniline-[3,4,5,6-d4] stands as a crucial stable isotope-labeled entity utilized in mass spectrometry endeavors. This compound serves as an internal standard, instrumental in the precise quantification of 2-nitroaniline amid intricate mixtures. The infusion of deuterium atoms confers a distinctive mass variance, facilitating accurate measurements and enabling exhaustive analyses.

Pharmaceutical Research: Within the pharmaceutical sphere, 2-Nitroaniline-[3,4,5,6-d4] assumes a pivotal function in unraveling the intricacies of drug metabolism and pharmacokinetics. Leveraging this deuterated compound, researchers embark on meticulous tracking and monitoring of the metabolic pathways and transformation products of potential drug entities. This profound comprehension provides invaluable insights into drug behavior within the biological milieu, significantly enhancing the evolution of safer and more efficacious therapeutic modalities.

Material Science: Venturing into the realm of material science, 2-Nitroaniline-[3,4,5,6-d4] finds its niche in the synthesis of cutting-edge materials, particularly those necessitating specific isotopic compositions. The incorporation of deuterated compounds enables the modulation of physical and chemical properties, impacting aspects like thermal stability and solubility. This avant-garde approach gives rise to tailored materials customized for diverse applications in domains such as optics and electronics.

Environmental Analysis: Unveiling its utility in environmental science, 2-Nitroaniline-[3,4,5,6-d4] emerges as a valuable tool for tracing and monitoring the destiny of nitroaniline compounds in ecosystems. By integrating this compound into investigative endeavors, researchers harvest insights into the degradation, transformation, and distribution of organic pollutants. Such studies play an indispensable role in evaluating environmental contamination levels and crafting efficacious strategies for environmental remediation.

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